Geometry & MOs

Info

ID:	79660
PubChem CID:	49829887
Reduced:	IN3O4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	406.042392
ΔH_f, kcal/mol:	-121.03
Dipole, Da:	6.93
IP(EA), eV:	-8.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=C(C=CC(=C2)I)N

DOS

IR

Vibrations